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Binding and Docking Interactions of NO, CO and O(2) in Heme Proteins as Probed by Density Functional Theory

Dynamics and reactivity in heme proteins include direct and indirect interactions of the ligands/substrates like CO, NO and O(2) with the environment. Direct electrostatic interactions result from amino acid side chains in the inner cavities and/or metal coordination in the active site, whereas indi...

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Bibliographic Details
Main Authors: Daskalakis, Vangelis, Varotsis, Constantinos
Format: Artigo
Language:Inglês
Published: Molecular Diversity Preservation International (MDPI) 2009
Subjects:
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC2769150/
https://ncbi.nlm.nih.gov/pubmed/19865536
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ijms10094137
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